N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide

C19H27N5O — CID 95155632

IUPACN-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)n1
InChIInChI=1S/C19H27N5O/c1-15-5-4-6-17(22-15)21-11-16-7-10-24(12-16)13-18(25)23-19(14-20)8-2-3-9-19/h4-6,16H,2-3,7-13H2,1H3,(H,21,22)(H,23,25)/t16-/m1/s1
InChIKeyVNGHGFPNFZUZBI-MRXNPFEDSA-N
MW341.46 g/mol
LogP2.08
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 95155632) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
PubChem CID95155632
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)n1
InChIInChI=1S/C19H27N5O/c1-15-5-4-6-17(22-15)21-11-16-7-10-24(12-16)13-18(25)23-19(14-20)8-2-3-9-19/h4-6,16H,2-3,7-13H2,1H3,(H,21,22)(H,23,25)/t16-/m1/s1
InChIKeyVNGHGFPNFZUZBI-MRXNPFEDSA-N
XLogP2.08
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide with MolForge

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Related Compounds

N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773787
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 97225711
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 86773963
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide (CID 95155632) is N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is Cc1cccc(NC[C@H]2CCN(CC(=O)NC3(C#N)CCCC3)C2)n1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is VNGHGFPNFZUZBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-15-5-4-6-17(22-15)21-11-16-7-10-24(12-16)13-18(25)23-19(14-20)8-2-3-9-19/h4-6,16H,2-3,7-13H2,1H3,(H,21,22)(H,23,25)/t16-/m1/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95155632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).