N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C23H28Cl2N4O2 — CID 160969684

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1CC(Cc2ncc3c(n2)CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CC3)CCO1
InChIInChI=1S/C23H28Cl2N4O2/c1-14-9-16(6-8-31-14)10-22-26-12-18-5-7-29(13-21(18)28-22)23(30)27-15(2)17-3-4-19(24)20(25)11-17/h3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,27,30)
InChIKeySYBYWUDFUUAYEA-UHFFFAOYSA-N
MW463.41 g/mol
LogP4.97
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 160969684) has the molecular formula C23H28Cl2N4O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID160969684
Molecular FormulaC23H28Cl2N4O2
Molecular Weight463.41 g/mol
Exact Mass462.16
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1CC(Cc2ncc3c(n2)CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CC3)CCO1
InChIInChI=1S/C23H28Cl2N4O2/c1-14-9-16(6-8-31-14)10-22-26-12-18-5-7-29(13-21(18)28-22)23(30)27-15(2)17-3-4-19(24)20(25)11-17/h3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,27,30)
InChIKeySYBYWUDFUUAYEA-UHFFFAOYSA-N
XLogP4.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 160969684) is N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC1CC(Cc2ncc3c(n2)CN(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)CC3)CCO1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is SYBYWUDFUUAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O2/c1-14-9-16(6-8-31-14)10-22-26-12-18-5-7-29(13-21(18)28-22)23(30)27-15(2)17-3-4-19(24)20(25)11-17/h3-4,11-12,14-16H,5-10,13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2-[(2-methyloxan-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 160969684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).