N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide

C24H29N5O2 — CID 121416811

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)19-12-9-14-25-21(19)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3
InChIKeyXLYIQPOCIBZCNY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide (PubChem CID 121416811) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide
PubChem CID121416811
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)19-12-9-14-25-21(19)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3
InChIKeyXLYIQPOCIBZCNY-UHFFFAOYSA-N
XLogP3.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11192346
N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-5-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 11319072
2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005270
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CID 44570855
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N-(2-(dibutylamino)ethyl)-4-pentyl-N-((5-(pyrimidin-5-yl)pyridin-2-yl)methyl)benzamide
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(4-Pyridin-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950862
2-(1-(4-Phenylpyrimidin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 16048992
N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
CID 50924433
2-[[7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylic acid
CID 50925178
5-[4-(Hydroxymethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide (CID 121416811) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is XLYIQPOCIBZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)19-12-9-14-25-21(19)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 121416811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).