N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide

C26H33N5O2 — CID 110268690

IUPACN-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1
InChIInChI=1S/C26H33N5O2/c1-17-23-6-4-13-30(15-19-7-8-19)25(23)29-24(27-17)21-5-3-14-31(16-21)26(33)20-9-11-22(12-10-20)28-18(2)32/h9-12,19,21H,3-8,13-16H2,1-2H3,(H,28,32)
InChIKeyKANJWHSGPQUVBN-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.93
Rot. Bonds5

About N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 110268690) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID110268690
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1
InChIInChI=1S/C26H33N5O2/c1-17-23-6-4-13-30(15-19-7-8-19)25(23)29-24(27-17)21-5-3-14-31(16-21)26(33)20-9-11-22(12-10-20)28-18(2)32/h9-12,19,21H,3-8,13-16H2,1-2H3,(H,28,32)
InChIKeyKANJWHSGPQUVBN-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92622687
[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 92622682
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268592
1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110263515
N-[2-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110263424
1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 92636309
N-[2-[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92630165
2-[1-(4-fluorobenzoyl)piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268450
[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92622699
1-[(3R)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622415
N-[2-[(3R)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618742
2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110263384

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide (CID 110268690) is N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1.
What is the InChIKey of N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is KANJWHSGPQUVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17-23-6-4-13-30(15-19-7-8-19)25(23)29-24(27-17)21-5-3-14-31(16-21)26(33)20-9-11-22(12-10-20)28-18(2)32/h9-12,19,21H,3-8,13-16H2,1-2H3,(H,28,32).
What are the key properties of N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110268690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).