[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone

C21H27N5O — CID 92636376

IUPAC[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C21H27N5O/c1-22-20-17-14-25(2)12-10-18(17)23-19(24-20)16-9-6-11-26(13-16)21(27)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyPABDXWRHPBSFFT-MRXNPFEDSA-N
MW365.48 g/mol
LogP2.53
Rot. Bonds3

About [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 92636376) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
PubChem CID92636376
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
SMILESCNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CN(C)CC2
InChIInChI=1S/C21H27N5O/c1-22-20-17-14-25(2)12-10-18(17)23-19(24-20)16-9-6-11-26(13-16)21(27)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyPABDXWRHPBSFFT-MRXNPFEDSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624840
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
1-[2-[1-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
3-(3-chlorophenyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92624743
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92625646
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
3-(2-methoxyphenyl)-1-[4-(methylamino)-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92624607
(3-cyclohexyl-1,2-oxazol-5-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265764
2-(1-hydroxycyclohexyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124983267
3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124987538
1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265726
1-[(3R)-3-[4-(methylamino)-6-(4-methyl-1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92624811

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone (CID 92636376) is [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone is CNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CN(C)CC2.
What is the InChIKey of [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is PABDXWRHPBSFFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5O/c1-22-20-17-14-25(2)12-10-18(17)23-19(24-20)16-9-6-11-26(13-16)21(27)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-14H2,1-2H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 92636376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).