N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide

C23H25N5O2 — CID 153321129

IUPACN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(Oc2cccnc2)cc(C(=O)NCC2CC2)n1
InChIInChI=1S/C23H25N5O2/c1-28(13-11-17-6-3-2-4-7-17)23-26-20(22(29)25-15-18-9-10-18)14-21(27-23)30-19-8-5-12-24-16-19/h2-8,12,14,16,18H,9-11,13,15H2,1H3,(H,25,29)
InChIKeySUZPRFDJVGSUBC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.48
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide (PubChem CID 153321129) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide
PubChem CID153321129
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(Oc2cccnc2)cc(C(=O)NCC2CC2)n1
InChIInChI=1S/C23H25N5O2/c1-28(13-11-17-6-3-2-4-7-17)23-26-20(22(29)25-15-18-9-10-18)14-21(27-23)30-19-8-5-12-24-16-19/h2-8,12,14,16,18H,9-11,13,15H2,1H3,(H,25,29)
InChIKeySUZPRFDJVGSUBC-UHFFFAOYSA-N
XLogP3.48
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
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-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide (CID 153321129) is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(Oc2cccnc2)cc(C(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide?
The InChIKey is SUZPRFDJVGSUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-28(13-11-17-6-3-2-4-7-17)23-26-20(22(29)25-15-18-9-10-18)14-21(27-23)30-19-8-5-12-24-16-19/h2-8,12,14,16,18H,9-11,13,15H2,1H3,(H,25,29).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyridin-3-yloxypyrimidine-4-carboxamide is sourced from PubChem (CID 153321129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).