2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide

C20H26FN5O — CID 95716393

IUPAC2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-22-20-23-11-16(12-24-20)19(27)25(2)17-8-6-10-26(14-17)13-15-7-4-5-9-18(15)21/h4-5,7,9,11-12,17H,3,6,8,10,13-14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
InChIKeyFPHPVSLHQDFEEY-KRWDZBQOSA-N
MW371.46 g/mol
LogP2.78
Rot. Bonds6

About 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide

2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide (PubChem CID 95716393) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
PubChem CID95716393
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-22-20-23-11-16(12-24-20)19(27)25(2)17-8-6-10-26(14-17)13-15-7-4-5-9-18(15)21/h4-5,7,9,11-12,17H,3,6,8,10,13-14H2,1-2H3,(H,22,23,24)/t17-/m0/s1
InChIKeyFPHPVSLHQDFEEY-KRWDZBQOSA-N
XLogP2.78
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 26326522
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42341590
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
CID 42097680
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 25488911

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide (CID 95716393) is 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is FPHPVSLHQDFEEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-3-22-20-23-11-16(12-24-20)19(27)25(2)17-8-6-10-26(14-17)13-15-7-4-5-9-18(15)21/h4-5,7,9,11-12,17H,3,6,8,10,13-14H2,1-2H3,(H,22,23,24)/t17-/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide?
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 95716393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).