N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H24N8O2 — CID 70117257

IUPACN-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C22H24N8O2/c1-30-11-18(20(29-30)22(32)26-14-3-2-4-14)28-21(31)19-17(25-15-9-23-12-24-10-15)8-7-16(27-19)13-5-6-13/h7-14,25H,2-6H2,1H3,(H,26,32)(H,28,31)
InChIKeyIUDCMVDBPKRWKR-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70117257) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70117257
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CCC2)n1
InChIInChI=1S/C22H24N8O2/c1-30-11-18(20(29-30)22(32)26-14-3-2-4-14)28-21(31)19-17(25-15-9-23-12-24-10-15)8-7-16(27-19)13-5-6-13/h7-14,25H,2-6H2,1H3,(H,26,32)(H,28,31)
InChIKeyIUDCMVDBPKRWKR-UHFFFAOYSA-N
XLogP2.76
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70117257) is N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)NC2CCC2)n1.
What is the InChIKey of N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is IUDCMVDBPKRWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-30-11-18(20(29-30)22(32)26-14-3-2-4-14)28-21(31)19-17(25-15-9-23-12-24-10-15)8-7-16(27-19)13-5-6-13/h7-14,25H,2-6H2,1H3,(H,26,32)(H,28,31).
What are the key properties of N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutylcarbamoyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70117257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).