N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

C22H20N6O — CID 133409463

IUPACN-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCC(Nc1ncnc2nc(N)ccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N6O/c1-14(26-20-18-10-11-19(23)28-21(18)25-13-24-20)16-8-5-9-17(12-16)27-22(29)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,29)(H3,23,24,25,26,28)
InChIKeyBHUHBCANAOFXEG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds5

About N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (PubChem CID 133409463) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
PubChem CID133409463
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESCC(Nc1ncnc2nc(N)ccc12)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N6O/c1-14(26-20-18-10-11-19(23)28-21(18)25-13-24-20)16-8-5-9-17(12-16)27-22(29)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,29)(H3,23,24,25,26,28)
InChIKeyBHUHBCANAOFXEG-UHFFFAOYSA-N
XLogP4.03
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
4-N-benzhydrylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407341
3-fluoro-4-methoxy-N-[3-[(1R)-1-(quinazolin-4-ylamino)ethyl]phenyl]benzamide
CID 141272066
4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
CID 174641915
4-[[(1R)-1-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788362
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763782
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
4-[[(1R)-1-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763188
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (CID 133409463) is N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is CC(Nc1ncnc2nc(N)ccc12)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is BHUHBCANAOFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14(26-20-18-10-11-19(23)28-21(18)25-13-24-20)16-8-5-9-17(12-16)27-22(29)15-6-3-2-4-7-15/h2-14H,1H3,(H,27,29)(H3,23,24,25,26,28).
What are the key properties of N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 133409463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).