3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide

C19H28N4O3 — CID 95208606

IUPAC3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
SMILESCC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCC(N)=O)nc2)C1
InChIInChI=1S/C19H28N4O3/c1-13(2)10-16(24)15-4-3-9-23(12-15)19(26)14-5-6-18(22-11-14)21-8-7-17(20)25/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H2,20,25)(H,21,22)/t15-/m1/s1
InChIKeyLNZYHRTXDWWEON-OAHLLOKOSA-N
MW360.46 g/mol
LogP1.84
Rot. Bonds8

About 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide

3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide (PubChem CID 95208606) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
PubChem CID95208606
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
SMILESCC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCC(N)=O)nc2)C1
InChIInChI=1S/C19H28N4O3/c1-13(2)10-16(24)15-4-3-9-23(12-15)19(26)14-5-6-18(22-11-14)21-8-7-17(20)25/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H2,20,25)(H,21,22)/t15-/m1/s1
InChIKeyLNZYHRTXDWWEON-OAHLLOKOSA-N
XLogP1.84
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide with MolForge

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Related Compounds

1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738466
3-methyl-1-[1-[6-(2-pyridin-4-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56755608
1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759098
3-methyl-1-[1-[6-(2-pyridin-3-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56759049
1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95215289
1-[(3S)-1-[6-(furan-3-ylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95557038
3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56753563
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide (CID 95208606) is 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide is CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCC(N)=O)nc2)C1.
What is the InChIKey of 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The InChIKey is LNZYHRTXDWWEON-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)10-16(24)15-4-3-9-23(12-15)19(26)14-5-6-18(22-11-14)21-8-7-17(20)25/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H2,20,25)(H,21,22)/t15-/m1/s1.
What are the key properties of 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 95208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).