N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide

C18H17N3O — CID 113084707

IUPACN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2c[nH]c3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C18H17N3O/c22-17(13-4-3-9-19-10-13)21-12-18(7-8-18)15-11-20-16-6-2-1-5-14(15)16/h1-6,9-11,20H,7-8,12H2,(H,21,22)
InChIKeyKXSVBVJGGQAOQN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.02
Rot. Bonds4

About N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 113084707) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID113084707
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2c[nH]c3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C18H17N3O/c22-17(13-4-3-9-19-10-13)21-12-18(7-8-18)15-11-20-16-6-2-1-5-14(15)16/h1-6,9-11,20H,7-8,12H2,(H,21,22)
InChIKeyKXSVBVJGGQAOQN-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide
CID 113084830
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084702
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutanamide
CID 113084663
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
N-[2-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 110995562
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090819

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 113084707) is N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide is O=C(NCC1(c2c[nH]c3ccccc23)CC1)c1cccnc1.
What is the InChIKey of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is KXSVBVJGGQAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-17(13-4-3-9-19-10-13)21-12-18(7-8-18)15-11-20-16-6-2-1-5-14(15)16/h1-6,9-11,20H,7-8,12H2,(H,21,22).
What are the key properties of N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).