N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide

C17H17N3O — CID 3677874

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)c1ccncc1
InChIInChI=1S/C17H17N3O/c1-12(20-17(21)13-6-8-18-9-7-13)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyKHEWHVOHEMGCGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.92
Rot. Bonds4

About N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide

N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 3677874) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
PubChem CID3677874
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)c1ccncc1
InChIInChI=1S/C17H17N3O/c1-12(20-17(21)13-6-8-18-9-7-13)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyKHEWHVOHEMGCGY-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 163142785
N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
4-[1-amino-3-[1-(1H-indol-3-yl)propan-2-ylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538183
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 59897088
N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide
CID 127025469
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide (CID 3677874) is N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide is CC(Cc1c[nH]c2ccccc12)NC(=O)c1ccncc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is KHEWHVOHEMGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(20-17(21)13-6-8-18-9-7-13)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide?
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.92, 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)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 3677874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).