N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide

C21H21N5O — CID 133290845

IUPACN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
SMILESCCc1cc(Nc2cccc(NC(=O)C3CC3)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21N5O/c1-2-15-13-19(26-20(24-15)18-8-3-4-11-22-18)23-16-6-5-7-17(12-16)25-21(27)14-9-10-14/h3-8,11-14H,2,9-10H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyJKMMQVMLMONRBO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 133290845) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
PubChem CID133290845
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
SMILESCCc1cc(Nc2cccc(NC(=O)C3CC3)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21N5O/c1-2-15-13-19(26-20(24-15)18-8-3-4-11-22-18)23-16-6-5-7-17(12-16)25-21(27)14-9-10-14/h3-8,11-14H,2,9-10H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyJKMMQVMLMONRBO-UHFFFAOYSA-N
XLogP4.19
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 38856002
methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
CID 91642537
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
CID 124614551
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
N-[3-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 133433586
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide (CID 133290845) is N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide is CCc1cc(Nc2cccc(NC(=O)C3CC3)c2)nc(-c2ccccn2)n1.
What is the InChIKey of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is JKMMQVMLMONRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-15-13-19(26-20(24-15)18-8-3-4-11-22-18)23-16-6-5-7-17(12-16)25-21(27)14-9-10-14/h3-8,11-14H,2,9-10H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 133290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).