N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

C18H28N6O2 — CID 56871379

IUPACN-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C18H28N6O2/c1-12(25)19-14-5-8-23(9-6-14)17-15-7-10-24(13(2)26)11-16(15)20-18(21-17)22(3)4/h14H,5-11H2,1-4H3,(H,19,25)
InChIKeyXDHHMWXRMZOWRS-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.55
Rot. Bonds3

About N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 56871379) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID56871379
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1
InChIInChI=1S/C18H28N6O2/c1-12(25)19-14-5-8-23(9-6-14)17-15-7-10-24(13(2)26)11-16(15)20-18(21-17)22(3)4/h14H,5-11H2,1-4H3,(H,19,25)
InChIKeyXDHHMWXRMZOWRS-UHFFFAOYSA-N
XLogP0.55
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Gemigliptin
CID 11953153
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-3,3-difluoropiperidine-2,6-dione
CID 44126345
N,N-Dimethyl-2-(4-methylpiperidin-1-YL)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-amine
CID 46050212
2-(4-Cyclohexylpiperazin-1-YL)-N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-amine
CID 46050226
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 56871379) is N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)CC1.
What is the InChIKey of N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is XDHHMWXRMZOWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-12(25)19-14-5-8-23(9-6-14)17-15-7-10-24(13(2)26)11-16(15)20-18(21-17)22(3)4/h14H,5-11H2,1-4H3,(H,19,25).
What are the key properties of N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56871379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).