1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one

C19H28N4O2 — CID 133366494

IUPAC1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)C1
InChIInChI=1S/C19H28N4O2/c1-3-18(24)23-11-8-16(13-23)21-17-5-4-15(12-20-17)19(25)22-9-6-14(2)7-10-22/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,20,21)
InChIKeyJWKLIIITACKXCP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.38
Rot. Bonds4

About 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one

1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 133366494) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID133366494
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)C1
InChIInChI=1S/C19H28N4O2/c1-3-18(24)23-11-8-16(13-23)21-17-5-4-15(12-20-17)19(25)22-9-6-14(2)7-10-22/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,20,21)
InChIKeyJWKLIIITACKXCP-UHFFFAOYSA-N
XLogP2.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
[6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133376286
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
N-[4-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-methylidenebutanamide
CID 162690060

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one (CID 133366494) is 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2ccc(C(=O)N3CCC(C)CC3)cn2)C1.
What is the InChIKey of 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is JWKLIIITACKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-18(24)23-11-8-16(13-23)21-17-5-4-15(12-20-17)19(25)22-9-6-14(2)7-10-22/h4-5,12,14,16H,3,6-11,13H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 133366494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).