2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C14H16N6O — CID 71908160

IUPAC2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CNc2ccc(C#N)cn2)C(N)=O)cn1
InChIInChI=1S/C14H16N6O/c1-20-9-11(7-19-20)4-12(14(16)21)8-18-13-3-2-10(5-15)6-17-13/h2-3,6-7,9,12H,4,8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyDHRVPFTYGLGASL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.44
Rot. Bonds6

About 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71908160) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71908160
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CNc2ccc(C#N)cn2)C(N)=O)cn1
InChIInChI=1S/C14H16N6O/c1-20-9-11(7-19-20)4-12(14(16)21)8-18-13-3-2-10(5-15)6-17-13/h2-3,6-7,9,12H,4,8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyDHRVPFTYGLGASL-UHFFFAOYSA-N
XLogP0.44
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 71908160) is 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CC(CNc2ccc(C#N)cn2)C(N)=O)cn1.
What is the InChIKey of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is DHRVPFTYGLGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-9-11(7-19-20)4-12(14(16)21)8-18-13-3-2-10(5-15)6-17-13/h2-3,6-7,9,12H,4,8H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyano-2-pyridinyl)amino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71908160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).