N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide

C21H23N5O — CID 122319909

IUPACN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N5O/c1-25(2)19-18(14-22-21(24-19)26-12-5-6-13-26)23-20(27)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,23,27)
InChIKeyOOCCUGBGYZOPHL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide (PubChem CID 122319909) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
PubChem CID122319909
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N5O/c1-25(2)19-18(14-22-21(24-19)26-12-5-6-13-26)23-20(27)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,23,27)
InChIKeyOOCCUGBGYZOPHL-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
1-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(2-methylphenyl)urea
CID 91966423
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
CID 122320305
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
1-(2-chlorophenyl)-3-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]urea
CID 71807700
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-2-carboxamide
CID 122320200

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide (CID 122319909) is N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide?
The InChIKey is OOCCUGBGYZOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(2)19-18(14-22-21(24-19)26-12-5-6-13-26)23-20(27)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide?
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 122319909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).