N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide

C23H31N5O — CID 153321106

IUPACN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H31N5O/c1-27(15-12-18-8-4-2-5-9-18)23-25-20(22(29)24-17-19-10-11-19)16-21(26-23)28-13-6-3-7-14-28/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3,(H,24,29)
InChIKeyHQWOPWDZXWHXFR-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.29
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 153321106) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID153321106
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H31N5O/c1-27(15-12-18-8-4-2-5-9-18)23-25-20(22(29)24-17-19-10-11-19)16-21(26-23)28-13-6-3-7-14-28/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3,(H,24,29)
InChIKeyHQWOPWDZXWHXFR-UHFFFAOYSA-N
XLogP3.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 153321106) is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is HQWOPWDZXWHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-27(15-12-18-8-4-2-5-9-18)23-25-20(22(29)24-17-19-10-11-19)16-21(26-23)28-13-6-3-7-14-28/h2,4-5,8-9,16,19H,3,6-7,10-15,17H2,1H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).