2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide

C20H27N5O — CID 72841954

IUPAC2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCC(c3ccccc3C)C2)cn1
InChIInChI=1S/C20H27N5O/c1-3-21-20-23-12-17(13-24-20)19(26)22-9-11-25-10-8-16(14-25)18-7-5-4-6-15(18)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyXECZYGCLICILSO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.44
Rot. Bonds7

About 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 72841954) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID72841954
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCC(c3ccccc3C)C2)cn1
InChIInChI=1S/C20H27N5O/c1-3-21-20-23-12-17(13-24-20)19(26)22-9-11-25-10-8-16(14-25)18-7-5-4-6-15(18)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyXECZYGCLICILSO-UHFFFAOYSA-N
XLogP2.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 125166620
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
CID 45210939
4,6-dimethyl-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 97138379

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide (CID 72841954) is 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCN2CCC(c3ccccc3C)C2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is XECZYGCLICILSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-21-20-23-12-17(13-24-20)19(26)22-9-11-25-10-8-16(14-25)18-7-5-4-6-15(18)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72841954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).