1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide

C20H19N5O2 — CID 57406950

IUPAC1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(=O)[nH]c4)CCC3)cc2)cn1
InChIInChI=1S/C20H19N5O2/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(8-1-9-20)18(27)25-16-6-7-17(26)22-12-16/h2-7,10-12H,1,8-9H2,(H,22,26)(H,25,27)(H2,21,23,24)
InChIKeyFLPHYEVLTZPTNS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.47
Rot. Bonds4

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide (PubChem CID 57406950) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide
PubChem CID57406950
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(=O)[nH]c4)CCC3)cc2)cn1
InChIInChI=1S/C20H19N5O2/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(8-1-9-20)18(27)25-16-6-7-17(26)22-12-16/h2-7,10-12H,1,8-9H2,(H,22,26)(H,25,27)(H2,21,23,24)
InChIKeyFLPHYEVLTZPTNS-UHFFFAOYSA-N
XLogP2.47
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide
CID 57407330
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
CID 67987762
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
CID 67987851
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide
CID 67973401
1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide
CID 67987791
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide
CID 57406582
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 67987772
N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 71135699
5-[5-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 137143951
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 67987735
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 57405879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide (CID 57406950) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide is Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(=O)[nH]c4)CCC3)cc2)cn1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is FLPHYEVLTZPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-19-23-10-14(11-24-19)13-2-4-15(5-3-13)20(8-1-9-20)18(27)25-16-6-7-17(26)22-12-16/h2-7,10-12H,1,8-9H2,(H,22,26)(H,25,27)(H2,21,23,24).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide?
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 57406950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).