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

C22H21N7O2 — CID 58548244

IUPACN-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O2/c30-21(28-19-12-23-7-6-16(19)22(31)29-8-1-9-29)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26H,1-3,8-9H2,(H,28,30)
InChIKeyGEDZEPWWAWTWJX-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.99
Rot. Bonds6

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

N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548244) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548244
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H21N7O2/c30-21(28-19-12-23-7-6-16(19)22(31)29-8-1-9-29)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26H,1-3,8-9H2,(H,28,30)
InChIKeyGEDZEPWWAWTWJX-UHFFFAOYSA-N
XLogP2.99
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548244) is N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCC1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GEDZEPWWAWTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-21(28-19-12-23-7-6-16(19)22(31)29-8-1-9-29)20-18(26-15-10-24-13-25-11-15)5-4-17(27-20)14-2-3-14/h4-7,10-14,26H,1-3,8-9H2,(H,28,30).
What are the key properties of N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidine-1-carbonyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).