2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide

C20H28N6O2 — CID 171388793

IUPAC2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide
SMILESCC(=O)NC[C@@H]1CC[C@H](CC(=O)NCc2cccc3ncnn23)N1CC1CC1
InChIInChI=1S/C20H28N6O2/c1-14(27)21-10-17-8-7-16(25(17)12-15-5-6-15)9-20(28)22-11-18-3-2-4-19-23-13-24-26(18)19/h2-4,13,15-17H,5-12H2,1H3,(H,21,27)(H,22,28)/t16-,17+/m1/s1
InChIKeyGZPOXQZWDQTISK-SJORKVTESA-N
MW384.48 g/mol
LogP1.11
Rot. Bonds8

About 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide

2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide (PubChem CID 171388793) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide
PubChem CID171388793
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide
SMILESCC(=O)NC[C@@H]1CC[C@H](CC(=O)NCc2cccc3ncnn23)N1CC1CC1
InChIInChI=1S/C20H28N6O2/c1-14(27)21-10-17-8-7-16(25(17)12-15-5-6-15)9-20(28)22-11-18-3-2-4-19-23-13-24-26(18)19/h2-4,13,15-17H,5-12H2,1H3,(H,21,27)(H,22,28)/t16-,17+/m1/s1
InChIKeyGZPOXQZWDQTISK-SJORKVTESA-N
XLogP1.11
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(1H-indol-4-ylmethyl)acetamide
CID 166617682
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 170508420
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 166618468
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 166615991
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 170511118
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 166619412
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 171909572
N-[[(2S,5R)-5-[2-(benzylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 171913952
N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 171386076
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 171913339
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 171386741
2-amino-N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]pyridine-4-carboxamide
CID 171388558

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide (CID 171388793) is 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide is CC(=O)NC[C@@H]1CC[C@H](CC(=O)NCc2cccc3ncnn23)N1CC1CC1.
What is the InChIKey of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide?
The InChIKey is GZPOXQZWDQTISK-SJORKVTESA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14(27)21-10-17-8-7-16(25(17)12-15-5-6-15)9-20(28)22-11-18-3-2-4-19-23-13-24-26(18)19/h2-4,13,15-17H,5-12H2,1H3,(H,21,27)(H,22,28)/t16-,17+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide?
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 171388793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).