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

C19H24N6O3 — CID 56870665

IUPACN-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1
InChIInChI=1S/C19H24N6O3/c1-12(27)21-16(11-26)19(28)25-8-6-14-15(10-25)22-17(23-18(14)24(2)3)13-5-4-7-20-9-13/h4-5,7,9,16,26H,6,8,10-11H2,1-3H3,(H,21,27)
InChIKeyFHYWRZOWYMMUBJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.01
Rot. Bonds5

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

N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide (PubChem CID 56870665) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
PubChem CID56870665
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1
InChIInChI=1S/C19H24N6O3/c1-12(27)21-16(11-26)19(28)25-8-6-14-15(10-25)22-17(23-18(14)24(2)3)13-5-4-7-20-9-13/h4-5,7,9,16,26H,6,8,10-11H2,1-3H3,(H,21,27)
InChIKeyFHYWRZOWYMMUBJ-UHFFFAOYSA-N
XLogP-0.01
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide (CID 56870665) is N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide is CC(=O)NC(CO)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1.
What is the InChIKey of N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
The InChIKey is FHYWRZOWYMMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12(27)21-16(11-26)19(28)25-8-6-14-15(10-25)22-17(23-18(14)24(2)3)13-5-4-7-20-9-13/h4-5,7,9,16,26H,6,8,10-11H2,1-3H3,(H,21,27).
What are the key properties of N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide?
N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxy-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 56870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).