1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide

C25H32ClN5O3 — CID 143578123

IUPAC1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCC1C2=C(C=C(NC(=O)C3CC(OC)CN3C(=O)Nc3ccc(Cl)cn3)C=CC2)CCN1C
InChIInChI=1S/C25H32ClN5O3/c1-4-21-20-7-5-6-18(12-16(20)10-11-30(21)2)28-24(32)22-13-19(34-3)15-31(22)25(33)29-23-9-8-17(26)14-27-23/h5-6,8-9,12,14,19,21-22H,4,7,10-11,13,15H2,1-3H3,(H,28,32)(H,27,29,33)
InChIKeyPVDOQFKCNSBSOX-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.73
Rot. Bonds5

About 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide

1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 143578123) has the molecular formula C25H32ClN5O3 and a molecular weight of 486.02 g/mol. Its IUPAC name is 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID143578123
Molecular FormulaC25H32ClN5O3
Molecular Weight486.02 g/mol
Exact Mass485.22
IUPAC Name1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCC1C2=C(C=C(NC(=O)C3CC(OC)CN3C(=O)Nc3ccc(Cl)cn3)C=CC2)CCN1C
InChIInChI=1S/C25H32ClN5O3/c1-4-21-20-7-5-6-18(12-16(20)10-11-30(21)2)28-24(32)22-13-19(34-3)15-31(22)25(33)29-23-9-8-17(26)14-27-23/h5-6,8-9,12,14,19,21-22H,4,7,10-11,13,15H2,1-3H3,(H,28,32)(H,27,29,33)
InChIKeyPVDOQFKCNSBSOX-UHFFFAOYSA-N
XLogP3.73
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68805264
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 10217341
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 24857779
2-[(4R)-1-[4-[[1-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]phenyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 68807033
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026109
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-iodo-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808509
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68806684
(2R,4R)-2-N-[5-[1-amino-1-(3H-azepin-2-yl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 166835454
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 137359318
5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 68808249
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 87582595
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide (CID 143578123) is 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide is CCC1C2=C(C=C(NC(=O)C3CC(OC)CN3C(=O)Nc3ccc(Cl)cn3)C=CC2)CCN1C.
What is the InChIKey of 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is PVDOQFKCNSBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O3/c1-4-21-20-7-5-6-18(12-16(20)10-11-30(21)2)28-24(32)22-13-19(34-3)15-31(22)25(33)29-23-9-8-17(26)14-27-23/h5-6,8-9,12,14,19,21-22H,4,7,10-11,13,15H2,1-3H3,(H,28,32)(H,27,29,33).
What are the key properties of 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide?
1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 486.02 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-pyridinyl)-2-N-(1-ethyl-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridin-6-yl)-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 143578123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).