(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide

C12H15ClN4O — CID 97025307

IUPAC(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide
SMILESCC[C@H](C)[C@@H](Nc1ncc(C#N)cc1Cl)C(N)=O
InChIInChI=1S/C12H15ClN4O/c1-3-7(2)10(11(15)18)17-12-9(13)4-8(5-14)6-16-12/h4,6-7,10H,3H2,1-2H3,(H2,15,18)(H,16,17)/t7-,10+/m0/s1
InChIKeyVOASNWHRMFCIDD-OIBJUYFYSA-N
MW266.73 g/mol
LogP1.92
Rot. Bonds5

About (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide

(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide (PubChem CID 97025307) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide
PubChem CID97025307
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide
SMILESCC[C@H](C)[C@@H](Nc1ncc(C#N)cc1Cl)C(N)=O
InChIInChI=1S/C12H15ClN4O/c1-3-7(2)10(11(15)18)17-12-9(13)4-8(5-14)6-16-12/h4,6-7,10H,3H2,1-2H3,(H2,15,18)(H,16,17)/t7-,10+/m0/s1
InChIKeyVOASNWHRMFCIDD-OIBJUYFYSA-N
XLogP1.92
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide?
The IUPAC name of (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide (CID 97025307) is (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide.
What is the SMILES notation for (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide?
The canonical SMILES for (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide is CC[C@H](C)[C@@H](Nc1ncc(C#N)cc1Cl)C(N)=O.
What is the InChIKey of (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide?
The InChIKey is VOASNWHRMFCIDD-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-7(2)10(11(15)18)17-12-9(13)4-8(5-14)6-16-12/h4,6-7,10H,3H2,1-2H3,(H2,15,18)(H,16,17)/t7-,10+/m0/s1.
What are the key properties of (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide?
(2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide has a molecular weight of 266.73 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(3-chloro-5-cyano-2-pyridinyl)amino]-3-methylpentanamide is sourced from PubChem (CID 97025307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).