6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H21N7O3 — CID 58548390

IUPAC6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC(O)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31)
InChIKeyLYYMSLCXCVVBDT-UHFFFAOYSA-N
MW431.46 g/mol
LogP1.96
Rot. Bonds6

About 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548390) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548390
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC(O)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31)
InChIKeyLYYMSLCXCVVBDT-UHFFFAOYSA-N
XLogP1.96
TPSA133.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.96
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-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548390) is 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CC(O)C1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LYYMSLCXCVVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31).
What are the key properties of 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 1.96, 6 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-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).