N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide

C21H23N5O — CID 11302904

IUPACN-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC2CCNC2)n1
InChIInChI=1S/C21H23N5O/c1-2-26(19-10-12-23-21(25-19)24-18-9-11-22-14-18)20(27)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,10,12-13,18,22H,2,9,11,14H2,1H3,(H,23,24,25)
InChIKeyAESVKGKRHHKKQK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.07
Rot. Bonds5

About N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide

N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide (PubChem CID 11302904) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide
PubChem CID11302904
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC2CCNC2)n1
InChIInChI=1S/C21H23N5O/c1-2-26(19-10-12-23-21(25-19)24-18-9-11-22-14-18)20(27)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,10,12-13,18,22H,2,9,11,14H2,1H3,(H,23,24,25)
InChIKeyAESVKGKRHHKKQK-UHFFFAOYSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bafetinib
CID 11387605
Amg-548
CID 11167112
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide
CID 10278414
3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl}-N,N-dimethylbenzamide
CID 23647109
Lyn-IN-1
CID 24853523
N-[2-[4-oxo-1-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
CID 73099418
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide (CID 11302904) is N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide is CCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC2CCNC2)n1.
What is the InChIKey of N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide?
The InChIKey is AESVKGKRHHKKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-26(19-10-12-23-21(25-19)24-18-9-11-22-14-18)20(27)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,10,12-13,18,22H,2,9,11,14H2,1H3,(H,23,24,25).
What are the key properties of N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide?
N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 11302904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).