1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide

C18H25N5O3 — CID 154456800

IUPAC1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCCC(C(N)=O)C3)C2)cn1
InChIInChI=1S/C18H25N5O3/c1-12-4-5-13(9-20-12)17(25)22-8-6-15(11-22)21-18(26)23-7-2-3-14(10-23)16(19)24/h4-5,9,14-15H,2-3,6-8,10-11H2,1H3,(H2,19,24)(H,21,26)/t14?,15-/m1/s1
InChIKeyYFLAIAMMPSDQAU-YSSOQSIOSA-N
MW359.43 g/mol
LogP0.51
Rot. Bonds3

About 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide

1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide (PubChem CID 154456800) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
PubChem CID154456800
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCCC(C(N)=O)C3)C2)cn1
InChIInChI=1S/C18H25N5O3/c1-12-4-5-13(9-20-12)17(25)22-8-6-15(11-22)21-18(26)23-7-2-3-14(10-23)16(19)24/h4-5,9,14-15H,2-3,6-8,10-11H2,1H3,(H2,19,24)(H,21,26)/t14?,15-/m1/s1
InChIKeyYFLAIAMMPSDQAU-YSSOQSIOSA-N
XLogP0.51
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
ethyl 2-[4-[[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]carbamoyl]piperazin-1-yl]acetate
CID 11177145
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
1,1-bis(2-methoxyethyl)-3-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 72979848
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 95585981
1-[4-(3-methylpyrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 71895515
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide (CID 154456800) is 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide is Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCCC(C(N)=O)C3)C2)cn1.
What is the InChIKey of 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide?
The InChIKey is YFLAIAMMPSDQAU-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-4-5-13(9-20-12)17(25)22-8-6-15(11-22)21-18(26)23-7-2-3-14(10-23)16(19)24/h4-5,9,14-15H,2-3,6-8,10-11H2,1H3,(H2,19,24)(H,21,26)/t14?,15-/m1/s1.
What are the key properties of 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide?
1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3R)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 154456800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).