1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile

C20H25N5O — CID 143251821

IUPAC1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile
SMILESC[C@@H]1CCN(C(=O)N2CC(C#N)C2)CC1N(C)c1ccnc2c1C=CC2
InChIInChI=1S/C20H25N5O/c1-14-7-9-24(20(26)25-11-15(10-21)12-25)13-19(14)23(2)18-6-8-22-17-5-3-4-16(17)18/h3-4,6,8,14-15,19H,5,7,9,11-13H2,1-2H3/t14-,19?/m1/s1
InChIKeyZLDHSGPWSJOQNQ-MJTSIZKDSA-N
MW351.45 g/mol
LogP2.37
Rot. Bonds2

About 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile

1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile (PubChem CID 143251821) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile
PubChem CID143251821
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile
SMILESC[C@@H]1CCN(C(=O)N2CC(C#N)C2)CC1N(C)c1ccnc2c1C=CC2
InChIInChI=1S/C20H25N5O/c1-14-7-9-24(20(26)25-11-15(10-21)12-25)13-19(14)23(2)18-6-8-22-17-5-3-4-16(17)18/h3-4,6,8,14-15,19H,5,7,9,11-13H2,1-2H3/t14-,19?/m1/s1
InChIKeyZLDHSGPWSJOQNQ-MJTSIZKDSA-N
XLogP2.37
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile?
The IUPAC name of 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile (CID 143251821) is 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile is C[C@@H]1CCN(C(=O)N2CC(C#N)C2)CC1N(C)c1ccnc2c1C=CC2.
What is the InChIKey of 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile?
The InChIKey is ZLDHSGPWSJOQNQ-MJTSIZKDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-7-9-24(20(26)25-11-15(10-21)12-25)13-19(14)23(2)18-6-8-22-17-5-3-4-16(17)18/h3-4,6,8,14-15,19H,5,7,9,11-13H2,1-2H3/t14-,19?/m1/s1.
What are the key properties of 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile?
1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3-[7H-cyclopenta[b]pyridin-4-yl(methyl)amino]-4-methylpiperidine-1-carbonyl]azetidine-3-carbonitrile is sourced from PubChem (CID 143251821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).