N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C20H23N5O — CID 124946512

IUPACN-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C20H23N5O/c1-14(26)23-12-16-7-9-22-20(24-16)19-6-3-11-25(19)13-15-4-2-5-18-17(15)8-10-21-18/h2,4-5,7-10,19,21H,3,6,11-13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyBYRDGETZXFKHGS-IBGZPJMESA-N
MW349.44 g/mol
LogP2.93
Rot. Bonds5

About N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124946512) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124946512
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C20H23N5O/c1-14(26)23-12-16-7-9-22-20(24-16)19-6-3-11-25(19)13-15-4-2-5-18-17(15)8-10-21-18/h2,4-5,7-10,19,21H,3,6,11-13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyBYRDGETZXFKHGS-IBGZPJMESA-N
XLogP2.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
N-[[2-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110095783
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
N-[[2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124966489
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124955181
N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125025430
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094772
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
N-[[4-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124953617

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 124946512) is N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is BYRDGETZXFKHGS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(26)23-12-16-7-9-22-20(24-16)19-6-3-11-25(19)13-15-4-2-5-18-17(15)8-10-21-18/h2,4-5,7-10,19,21H,3,6,11-13H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124946512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).