N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide

C19H23N5O2 — CID 126429780

IUPACN-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
SMILESCCNc1ccnc(-c2ccc(C(=O)N3CC[C@@H](NC(C)=O)C3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-3-20-17-8-10-21-18(23-17)14-4-6-15(7-5-14)19(26)24-11-9-16(12-24)22-13(2)25/h4-8,10,16H,3,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23)/t16-/m1/s1
InChIKeyRPIZECRVQWASGX-MRXNPFEDSA-N
MW353.43 g/mol
LogP1.93
Rot. Bonds5

About N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 126429780) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID126429780
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
SMILESCCNc1ccnc(-c2ccc(C(=O)N3CC[C@@H](NC(C)=O)C3)cc2)n1
InChIInChI=1S/C19H23N5O2/c1-3-20-17-8-10-21-18(23-17)14-4-6-15(7-5-14)19(26)24-11-9-16(12-24)22-13(2)25/h4-8,10,16H,3,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23)/t16-/m1/s1
InChIKeyRPIZECRVQWASGX-MRXNPFEDSA-N
XLogP1.93
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125442665
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
[4-[4-(2-hydroxyethylamino)pyrimidin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117094568
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide (CID 126429780) is N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide is CCNc1ccnc(-c2ccc(C(=O)N3CC[C@@H](NC(C)=O)C3)cc2)n1.
What is the InChIKey of N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RPIZECRVQWASGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-20-17-8-10-21-18(23-17)14-4-6-15(7-5-14)19(26)24-11-9-16(12-24)22-13(2)25/h4-8,10,16H,3,9,11-12H2,1-2H3,(H,22,25)(H,20,21,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126429780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).