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

C19H24N4O2 — CID 126450185

IUPAC2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-6-17(14)15-7-9-23(13-15)10-8-20-18(24)16-11-21-19(25-2)22-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQYHHBUHVTCCZRS-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.01
Rot. Bonds6

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

2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 126450185) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID126450185
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-14-5-3-4-6-17(14)15-7-9-23(13-15)10-8-20-18(24)16-11-21-19(25-2)22-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyQYHHBUHVTCCZRS-HNNXBMFYSA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
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-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
CID 45210939
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide (CID 126450185) is 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide is COc1ncc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cn1.
What is the InChIKey of 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is QYHHBUHVTCCZRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-5-3-4-6-17(14)15-7-9-23(13-15)10-8-20-18(24)16-11-21-19(25-2)22-12-16/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide?
2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126450185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).