N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide

C24H26N6O2 — CID 178157713

IUPACN-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
SMILESO=C(NC(CC1CCCC1)C(=O)Nc1cncnc1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C24H26N6O2/c31-23(18-6-3-7-20(13-18)28-19-8-10-25-11-9-19)30-22(12-17-4-1-2-5-17)24(32)29-21-14-26-16-27-15-21/h3,6-11,13-17,22H,1-2,4-5,12H2,(H,25,28)(H,29,32)(H,30,31)
InChIKeyOZADPSZLNHFGEN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.93
Rot. Bonds8

About N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide

N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide (PubChem CID 178157713) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
PubChem CID178157713
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide
SMILESO=C(NC(CC1CCCC1)C(=O)Nc1cncnc1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C24H26N6O2/c31-23(18-6-3-7-20(13-18)28-19-8-10-25-11-9-19)30-22(12-17-4-1-2-5-17)24(32)29-21-14-26-16-27-15-21/h3,6-11,13-17,22H,1-2,4-5,12H2,(H,25,28)(H,29,32)(H,30,31)
InChIKeyOZADPSZLNHFGEN-UHFFFAOYSA-N
XLogP3.93
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyclopentyl-1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157612
3-[(3-chloro-4-pyridinyl)amino]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]benzamide
CID 178157543
N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157559
N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157914
N-[3-cyclopentyl-1-oxo-1-(2-phenylpropan-2-ylamino)propan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide
CID 178157636
N-[3-cyclopentyl-1-[(1-methylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-3-[(2-morpholin-4-yl-3-pyridinyl)amino]benzamide
CID 178157954
N-[(2S)-1-[[(Z,2R)-4-amino-3-(methyliminomethyl)but-3-en-2-yl]amino]-3-cyclopentyl-1-oxopropan-2-yl]-3-[(3-fluoro-4-pyridinyl)amino]benzamide;molecular hydrogen
CID 178157990
N-[(2S)-3-cyclopentyl-1-[(1-methylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 178157862
3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
N-[(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 87849842
N-[(2S)-3-cyclopentyl-1-[(1-methylpyrazol-4-yl)amino]-1-oxopropan-2-yl]-3-(3-pyridin-3-ylpiperidin-1-yl)benzamide
CID 178157748

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide?
The IUPAC name of N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide (CID 178157713) is N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide?
The canonical SMILES for N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide is O=C(NC(CC1CCCC1)C(=O)Nc1cncnc1)c1cccc(Nc2ccncc2)c1.
What is the InChIKey of N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide?
The InChIKey is OZADPSZLNHFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c31-23(18-6-3-7-20(13-18)28-19-8-10-25-11-9-19)30-22(12-17-4-1-2-5-17)24(32)29-21-14-26-16-27-15-21/h3,6-11,13-17,22H,1-2,4-5,12H2,(H,25,28)(H,29,32)(H,30,31).
What are the key properties of N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide?
N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-1-oxo-1-(pyrimidin-5-ylamino)propan-2-yl]-3-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 178157713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).