N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide

C19H28N4O2 — CID 95292303

IUPACN-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1
InChIInChI=1S/C19H28N4O2/c1-2-4-18(24)21-11-14-5-3-10-23(13-14)19(25)15-6-9-17(20-12-15)22-16-7-8-16/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,20,22)(H,21,24)/t14-/m0/s1
InChIKeyICLIXEUEWLYVDS-AWEZNQCLSA-N
MW344.46 g/mol
LogP2.42
Rot. Bonds7

About N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide

N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide (PubChem CID 95292303) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
PubChem CID95292303
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1
InChIInChI=1S/C19H28N4O2/c1-2-4-18(24)21-11-14-5-3-10-23(13-14)19(25)15-6-9-17(20-12-15)22-16-7-8-16/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,20,22)(H,21,24)/t14-/m0/s1
InChIKeyICLIXEUEWLYVDS-AWEZNQCLSA-N
XLogP2.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 97312968
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide (CID 95292303) is N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(NC3CC3)nc2)C1.
What is the InChIKey of N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is ICLIXEUEWLYVDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-4-18(24)21-11-14-5-3-10-23(13-14)19(25)15-6-9-17(20-12-15)22-16-7-8-16/h6,9,12,14,16H,2-5,7-8,10-11,13H2,1H3,(H,20,22)(H,21,24)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide?
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95292303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).