(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide

C11H14N4O — CID 97236005

IUPAC(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)[C@H](Nc1ccc(C#N)cn1)C(N)=O
InChIInChI=1S/C11H14N4O/c1-7(2)10(11(13)16)15-9-4-3-8(5-12)6-14-9/h3-4,6-7,10H,1-2H3,(H2,13,16)(H,14,15)/t10-/m0/s1
InChIKeyFBKKOWFLCPVHGP-JTQLQIEISA-N
MW218.26 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide

(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 97236005) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID97236005
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)[C@H](Nc1ccc(C#N)cn1)C(N)=O
InChIInChI=1S/C11H14N4O/c1-7(2)10(11(13)16)15-9-4-3-8(5-12)6-14-9/h3-4,6-7,10H,1-2H3,(H2,13,16)(H,14,15)/t10-/m0/s1
InChIKeyFBKKOWFLCPVHGP-JTQLQIEISA-N
XLogP0.88
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
2-(2-bromo-4-cyanoanilino)-3-methylbutanamide
CID 106345596
2-(2-chloro-4-cyanoanilino)-3-methylbutanamide
CID 106345598
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide (CID 97236005) is (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide is CC(C)[C@H](Nc1ccc(C#N)cn1)C(N)=O.
What is the InChIKey of (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is FBKKOWFLCPVHGP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)10(11(13)16)15-9-4-3-8(5-12)6-14-9/h3-4,6-7,10H,1-2H3,(H2,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide?
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 218.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 97236005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).