N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide

C19H24N4O — CID 50965992

IUPACN-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-3-18-20-11-16(12-21-18)19(24)22(2)17-9-10-23(14-17)13-15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3
InChIKeyGAIBPNLPUGQPNT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide

N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide (PubChem CID 50965992) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide
PubChem CID50965992
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(C)C2CCN(Cc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-3-18-20-11-16(12-21-18)19(24)22(2)17-9-10-23(14-17)13-15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3
InChIKeyGAIBPNLPUGQPNT-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide (CID 50965992) is N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide is CCc1ncc(C(=O)N(C)C2CCN(Cc3ccccc3)C2)cn1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide?
The InChIKey is GAIBPNLPUGQPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-18-20-11-16(12-21-18)19(24)22(2)17-9-10-23(14-17)13-15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-ethyl-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 50965992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).