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

C23H25N7O4 — CID 58548241

IUPAC6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CC(O)CO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O4/c1-30(11-16(32)12-31)23(34)17-6-7-24-10-20(17)29-22(33)21-19(27-15-8-25-13-26-9-15)5-4-18(28-21)14-2-3-14/h4-10,13-14,16,27,31-32H,2-3,11-12H2,1H3,(H,29,33)
InChIKeyFYMVKYWVEUUYPF-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.57
Rot. Bonds9

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

6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548241) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548241
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(CC(O)CO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H25N7O4/c1-30(11-16(32)12-31)23(34)17-6-7-24-10-20(17)29-22(33)21-19(27-15-8-25-13-26-9-15)5-4-18(28-21)14-2-3-14/h4-10,13-14,16,27,31-32H,2-3,11-12H2,1H3,(H,29,33)
InChIKeyFYMVKYWVEUUYPF-UHFFFAOYSA-N
XLogP1.57
TPSA153.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548241) is 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(CC(O)CO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is FYMVKYWVEUUYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-30(11-16(32)12-31)23(34)17-6-7-24-10-20(17)29-22(33)21-19(27-15-8-25-13-26-9-15)5-4-18(28-21)14-2-3-14/h4-10,13-14,16,27,31-32H,2-3,11-12H2,1H3,(H,29,33).
What are the key properties of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.57, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).