N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C25H31N7O — CID 71457642

IUPACN-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2
InChIInChI=1S/C25H31N7O/c1-25(2,3)30-24(33)32-16-11-21-20(17-32)23(29-22(28-21)18-8-13-26-14-9-18)31(4)15-10-19-7-5-6-12-27-19/h5-9,12-14H,10-11,15-17H2,1-4H3,(H,30,33)
InChIKeyKQNOMPNENZWATD-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.48
Rot. Bonds5

About N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71457642) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71457642
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC NameN-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2
InChIInChI=1S/C25H31N7O/c1-25(2,3)30-24(33)32-16-11-21-20(17-32)23(29-22(28-21)18-8-13-26-14-9-18)31(4)15-10-19-7-5-6-12-27-19/h5-9,12-14H,10-11,15-17H2,1-4H3,(H,30,33)
InChIKeyKQNOMPNENZWATD-UHFFFAOYSA-N
XLogP3.48
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71457642) is N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2.
What is the InChIKey of N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is KQNOMPNENZWATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-25(2,3)30-24(33)32-16-11-21-20(17-32)23(29-22(28-21)18-8-13-26-14-9-18)31(4)15-10-19-7-5-6-12-27-19/h5-9,12-14H,10-11,15-17H2,1-4H3,(H,30,33).
What are the key properties of N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71457642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).