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

C17H24N6O — CID 95137068

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
SMILESCN(C)c1ncnc2c1CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC2
InChIInChI=1S/C17H24N6O/c1-17(10-18,12-4-5-12)21-15(24)9-23-7-6-14-13(8-23)16(22(2)3)20-11-19-14/h11-12H,4-9H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyYBYGSSWWCHNUDX-KRWDZBQOSA-N
MW328.42 g/mol
LogP0.71
Rot. Bonds5

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

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide (PubChem CID 95137068) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
PubChem CID95137068
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide
SMILESCN(C)c1ncnc2c1CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC2
InChIInChI=1S/C17H24N6O/c1-17(10-18,12-4-5-12)21-15(24)9-23-7-6-14-13(8-23)16(22(2)3)20-11-19-14/h11-12H,4-9H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyYBYGSSWWCHNUDX-KRWDZBQOSA-N
XLogP0.71
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide (CID 95137068) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide is CN(C)c1ncnc2c1CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC2.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
The InChIKey is YBYGSSWWCHNUDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(10-18,12-4-5-12)21-15(24)9-23-7-6-14-13(8-23)16(22(2)3)20-11-19-14/h11-12H,4-9H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 95137068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).