N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride

C16H28ClN5O2 — CID 175734148

IUPACN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride
SMILESCNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2.Cl
InChIInChI=1S/C16H27N5O2.ClH/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4;/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20);1H/t11-;/m1./s1
InChIKeyPLTLTOHSVVRZQJ-RFVHGSKJSA-N
MW357.89 g/mol
LogP1.05
Rot. Bonds6

About N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride

N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride (PubChem CID 175734148) has the molecular formula C16H28ClN5O2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride
PubChem CID175734148
Molecular FormulaC16H28ClN5O2
Molecular Weight357.89 g/mol
Exact Mass357.19
IUPAC NameN-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride
SMILESCNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2.Cl
InChIInChI=1S/C16H27N5O2.ClH/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4;/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20);1H/t11-;/m1./s1
InChIKeyPLTLTOHSVVRZQJ-RFVHGSKJSA-N
XLogP1.05
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(4-methylpiperazino)-5-propyl-4(3H)-pyrimidinone
CID 135491339
2-(4-ethylpiperazin-1-yl)-6-methyl-5-propylpyrimidin-4(3H)-one
CID 135644657
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
N-[3-(2-Acetamido-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propyl]acetamide
CID 135463847
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
CID 135463848
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)piperazino]acetamide
CID 135515955
1,3,6-Trimethyl-5-[(4-oxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)methyl]pyrimidine-2,4-dione
CID 136673330
2-(4-Methylpiperidin-1-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136711445
7-(2,2-Dimethylpropanoyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137058265
N,N-diethyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 137058269
7-(2,2-Dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137095089
N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
CID 137095093

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride (CID 175734148) is N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride is CNC(=O)CCCn1c(NC(C)C)nc2c(c1=O)C[C@@H](C)NC2.Cl.
What is the InChIKey of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride?
The InChIKey is PLTLTOHSVVRZQJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H27N5O2.ClH/c1-10(2)19-16-20-13-9-18-11(3)8-12(13)15(23)21(16)7-5-6-14(22)17-4;/h10-11,18H,5-9H2,1-4H3,(H,17,22)(H,19,20);1H/t11-;/m1./s1.
What are the key properties of N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride?
N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6R)-6-methyl-4-oxo-2-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 175734148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).