N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide

C20H23N3O3 — CID 167933726

IUPACN-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC1(c2ccc(CNc3ccc(C(=O)NC4CC4)cn3)cc2)OCCO1
InChIInChI=1S/C20H23N3O3/c1-20(25-10-11-26-20)16-5-2-14(3-6-16)12-21-18-9-4-15(13-22-18)19(24)23-17-7-8-17/h2-6,9,13,17H,7-8,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPOIWRQBURCJNLN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.81
Rot. Bonds6

About N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide

N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 167933726) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID167933726
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC1(c2ccc(CNc3ccc(C(=O)NC4CC4)cn3)cc2)OCCO1
InChIInChI=1S/C20H23N3O3/c1-20(25-10-11-26-20)16-5-2-14(3-6-16)12-21-18-9-4-15(13-22-18)19(24)23-17-7-8-17/h2-6,9,13,17H,7-8,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyPOIWRQBURCJNLN-UHFFFAOYSA-N
XLogP2.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
CID 167759595
N-cyclopropyl-6-(1,3-oxazol-5-ylmethylamino)pyridine-3-carboxamide
CID 167750031
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
CID 166293592
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-cyclopropyl-6-[(1-fluorocyclobutyl)methylamino]pyridine-3-carboxamide
CID 167907269
N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 167933726) is N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide is CC1(c2ccc(CNc3ccc(C(=O)NC4CC4)cn3)cc2)OCCO1.
What is the InChIKey of N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is POIWRQBURCJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(25-10-11-26-20)16-5-2-14(3-6-16)12-21-18-9-4-15(13-22-18)19(24)23-17-7-8-17/h2-6,9,13,17H,7-8,10-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide?
N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 167933726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).