N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C23H29N5O2 — CID 142389774

IUPACN-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@H]1CCC[C@@H](NCc2ccnc(OC)c2)C1
InChIInChI=1S/C23H29N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-12,14,17-18,26-27H,3-4,6-7,13,15H2,1-2H3/t17-,18+/m1/s1
InChIKeyZPDYHWSBYSPKFI-MSOLQXFVSA-N
MW407.52 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 142389774) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID142389774
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc2ncccc2[nH]1)[C@H]1CCC[C@@H](NCc2ccnc(OC)c2)C1
InChIInChI=1S/C23H29N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-12,14,17-18,26-27H,3-4,6-7,13,15H2,1-2H3/t17-,18+/m1/s1
InChIKeyZPDYHWSBYSPKFI-MSOLQXFVSA-N
XLogP3.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,3R)-3-(2,1,3-benzothiadiazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076769
N-ethyl-N-[(1S)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohex-2-en-1-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 155076809
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171280
N-ethyl-N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171283
N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 135171160
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
N-ethyl-N-[(1S)-3-[(2,2,2-trifluoro-1-phenylethyl)amino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 142389796
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 142389774) is N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is CCN(C(=O)c1cc2ncccc2[nH]1)[C@H]1CCC[C@@H](NCc2ccnc(OC)c2)C1.
What is the InChIKey of N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZPDYHWSBYSPKFI-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-28(23(29)21-14-20-19(27-21)8-5-10-24-20)18-7-4-6-17(13-18)26-15-16-9-11-25-22(12-16)30-2/h5,8-12,14,17-18,26-27H,3-4,6-7,13,15H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S,3R)-3-[(2-methoxy-4-pyridinyl)methylamino]cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142389774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).