N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C16H21N5OS — CID 95139935

IUPACN-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1nccs1
InChIInChI=1S/C16H21N5OS/c1-20(16-18-7-9-23-16)15(22)12-21-8-5-13(11-21)10-19-14-4-2-3-6-17-14/h2-4,6-7,9,13H,5,8,10-12H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyFQBMOABKDHUOLF-CYBMUJFWSA-N
MW331.44 g/mol
LogP1.93
Rot. Bonds6

About N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95139935) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95139935
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1nccs1
InChIInChI=1S/C16H21N5OS/c1-20(16-18-7-9-23-16)15(22)12-21-8-5-13(11-21)10-19-14-4-2-3-6-17-14/h2-4,6-7,9,13H,5,8,10-12H2,1H3,(H,17,19)/t13-/m1/s1
InChIKeyFQBMOABKDHUOLF-CYBMUJFWSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 86773887
N-(3-cyanothiophen-2-yl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773779
N-(2-acetamidoethyl)-2-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 95156695
N-[[(3R)-1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95137123
N-(1-cyanocyclopentyl)-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]acetamide
CID 86773787
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 60504796
1,3-dimethyl-6-[[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 86773811
N-methyl-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95975344
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
N-methyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95630125

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95139935) is N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(C(=O)CN1CC[C@H](CNc2ccccn2)C1)c1nccs1.
What is the InChIKey of N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FQBMOABKDHUOLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(16-18-7-9-23-16)15(22)12-21-8-5-13(11-21)10-19-14-4-2-3-6-17-14/h2-4,6-7,9,13H,5,8,10-12H2,1H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95139935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).