2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

C19H22N6O2 — CID 118395327

IUPAC2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C19H22N6O2/c1-11(2)18(26)23-17-14-10-20-16(9-15(14)24-25-17)22-19(27)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,27)(H2,23,24,25,26)/t12-/m1/s1
InChIKeyQAUYWKGTILNTNC-GFCCVEGCSA-N
MW366.43 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide

2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (PubChem CID 118395327) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
PubChem CID118395327
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
SMILESCC(C)C(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C19H22N6O2/c1-11(2)18(26)23-17-14-10-20-16(9-15(14)24-25-17)22-19(27)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,27)(H2,23,24,25,26)/t12-/m1/s1
InChIKeyQAUYWKGTILNTNC-GFCCVEGCSA-N
XLogP3.44
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide (CID 118395327) is 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is CC(C)C(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.
What is the InChIKey of 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
The InChIKey is QAUYWKGTILNTNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11(2)18(26)23-17-14-10-20-16(9-15(14)24-25-17)22-19(27)21-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,20,21,22,27)(H2,23,24,25,26)/t12-/m1/s1.
What are the key properties of 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide?
2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide has a molecular weight of 366.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide is sourced from PubChem (CID 118395327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).