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

C21H21N7O3 — CID 70097503

IUPAC6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCCO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H21N7O3/c29-8-7-25-20(30)15-5-6-22-11-18(15)28-21(31)19-17(26-14-9-23-12-24-10-14)4-3-16(27-19)13-1-2-13/h3-6,9-13,26,29H,1-2,7-8H2,(H,25,30)(H,28,31)
InChIKeyHZLRYEIDSGZAHC-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.86
Rot. Bonds8

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

6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70097503) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70097503
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NCCO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H21N7O3/c29-8-7-25-20(30)15-5-6-22-11-18(15)28-21(31)19-17(26-14-9-23-12-24-10-14)4-3-16(27-19)13-1-2-13/h3-6,9-13,26,29H,1-2,7-8H2,(H,25,30)(H,28,31)
InChIKeyHZLRYEIDSGZAHC-UHFFFAOYSA-N
XLogP1.86
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70097503) is 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NCCO)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is HZLRYEIDSGZAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c29-8-7-25-20(30)15-5-6-22-11-18(15)28-21(31)19-17(26-14-9-23-12-24-10-14)4-3-16(27-19)13-1-2-13/h3-6,9-13,26,29H,1-2,7-8H2,(H,25,30)(H,28,31).
What are the key properties of 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 1.86, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2-hydroxyethylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70097503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).