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

C18H18N8O2 — CID 58548277

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(N)=O)n1
InChIInChI=1S/C18H18N8O2/c1-26-8-14(15(25-26)17(19)27)24-18(28)16-13(22-11-6-20-9-21-7-11)5-4-12(23-16)10-2-3-10/h4-10,22H,2-3H2,1H3,(H2,19,27)(H,24,28)
InChIKeyHTHSHQKMZIMVBB-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.58
Rot. Bonds6

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

N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548277) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548277
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(N)=O)n1
InChIInChI=1S/C18H18N8O2/c1-26-8-14(15(25-26)17(19)27)24-18(28)16-13(22-11-6-20-9-21-7-11)5-4-12(23-16)10-2-3-10/h4-10,22H,2-3H2,1H3,(H2,19,27)(H,24,28)
InChIKeyHTHSHQKMZIMVBB-UHFFFAOYSA-N
XLogP1.58
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548277) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is HTHSHQKMZIMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-26-8-14(15(25-26)17(19)27)24-18(28)16-13(22-11-6-20-9-21-7-11)5-4-12(23-16)10-2-3-10/h4-10,22H,2-3H2,1H3,(H2,19,27)(H,24,28).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).