6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H25N7O3 — CID 58548260

IUPAC6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O3/c1-30(9-2-10-31)23(33)17-7-8-24-13-20(17)29-22(32)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27,31H,2-4,9-10H2,1H3,(H,29,32)
InChIKeyXPWNMWNWLVXXQN-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.59
Rot. Bonds9

About 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548260) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548260
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O3/c1-30(9-2-10-31)23(33)17-7-8-24-13-20(17)29-22(32)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27,31H,2-4,9-10H2,1H3,(H,29,32)
InChIKeyXPWNMWNWLVXXQN-UHFFFAOYSA-N
XLogP2.59
TPSA133.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548260) is 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(CCCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is XPWNMWNWLVXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-30(9-2-10-31)23(33)17-7-8-24-13-20(17)29-22(32)21-19(27-16-11-25-14-26-12-16)6-5-18(28-21)15-3-4-15/h5-8,11-15,27,31H,2-4,9-10H2,1H3,(H,29,32).
What are the key properties of 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[3-hydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).