N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide

C15H19N3OS — CID 97230843

IUPACN-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CCN[C@@H](C)c2ccsc2)n1
InChIInChI=1S/C15H19N3OS/c1-11-4-3-5-14(17-11)18-15(19)6-8-16-12(2)13-7-9-20-10-13/h3-5,7,9-10,12,16H,6,8H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyIOVCOOQHVLJSDR-LBPRGKRZSA-N
MW289.40 g/mol
LogP3.13
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide

N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide (PubChem CID 97230843) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide
PubChem CID97230843
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CCN[C@@H](C)c2ccsc2)n1
InChIInChI=1S/C15H19N3OS/c1-11-4-3-5-14(17-11)18-15(19)6-8-16-12(2)13-7-9-20-10-13/h3-5,7,9-10,12,16H,6,8H2,1-2H3,(H,17,18,19)/t12-/m0/s1
InChIKeyIOVCOOQHVLJSDR-LBPRGKRZSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
CID 86860055
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide (CID 97230843) is N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide is Cc1cccc(NC(=O)CCN[C@@H](C)c2ccsc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide?
The InChIKey is IOVCOOQHVLJSDR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-4-3-5-14(17-11)18-15(19)6-8-16-12(2)13-7-9-20-10-13/h3-5,7,9-10,12,16H,6,8H2,1-2H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide?
N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[[(1S)-1-thiophen-3-ylethyl]amino]propanamide is sourced from PubChem (CID 97230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).