N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride

C19H33ClN6O — CID 118741781

IUPACN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride
SMILESCCN(CC)C(=O)CN1CCc2c(nc(C3CCNCC3)nc2NC)C1.Cl
InChIInChI=1S/C19H32N6O.ClH/c1-4-25(5-2)17(26)13-24-11-8-15-16(12-24)22-18(23-19(15)20-3)14-6-9-21-10-7-14;/h14,21H,4-13H2,1-3H3,(H,20,22,23);1H
InChIKeyPUFUNAZTLIORFQ-UHFFFAOYSA-N
MW396.97 g/mol
LogP1.63
Rot. Bonds6

About N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride

N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride (PubChem CID 118741781) has the molecular formula C19H33ClN6O and a molecular weight of 396.97 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride
PubChem CID118741781
Molecular FormulaC19H33ClN6O
Molecular Weight396.97 g/mol
Exact Mass396.24
IUPAC NameN,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride
SMILESCCN(CC)C(=O)CN1CCc2c(nc(C3CCNCC3)nc2NC)C1.Cl
InChIInChI=1S/C19H32N6O.ClH/c1-4-25(5-2)17(26)13-24-11-8-15-16(12-24)22-18(23-19(15)20-3)14-6-9-21-10-7-14;/h14,21H,4-13H2,1-3H3,(H,20,22,23);1H
InChIKeyPUFUNAZTLIORFQ-UHFFFAOYSA-N
XLogP1.63
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.97
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
1-[3-[[2-(Dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
CID 56742152
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride (CID 118741781) is N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride is CCN(CC)C(=O)CN1CCc2c(nc(C3CCNCC3)nc2NC)C1.Cl.
What is the InChIKey of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride?
The InChIKey is PUFUNAZTLIORFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O.ClH/c1-4-25(5-2)17(26)13-24-11-8-15-16(12-24)22-18(23-19(15)20-3)14-6-9-21-10-7-14;/h14,21H,4-13H2,1-3H3,(H,20,22,23);1H.
What are the key properties of N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride?
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride has a molecular weight of 396.97 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide;hydrochloride is sourced from PubChem (CID 118741781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).