2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide

C19H30N4O2 — CID 95980637

IUPAC2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide
SMILESCc1cccc(NC[C@@H]2CCCN2C(=O)CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-5-9-16(22-14)21-13-15-8-6-12-23(15)17(24)10-11-20-18(25)19(2,3)4/h5,7,9,15H,6,8,10-13H2,1-4H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyJMRKREOJLBUCHX-HNNXBMFYSA-N
MW346.48 g/mol
LogP2.35
Rot. Bonds6

About 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide (PubChem CID 95980637) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide
PubChem CID95980637
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide
SMILESCc1cccc(NC[C@@H]2CCCN2C(=O)CCNC(=O)C(C)(C)C)n1
InChIInChI=1S/C19H30N4O2/c1-14-7-5-9-16(22-14)21-13-15-8-6-12-23(15)17(24)10-11-20-18(25)19(2,3)4/h5,7,9,15H,6,8,10-13H2,1-4H3,(H,20,25)(H,21,22)/t15-/m0/s1
InChIKeyJMRKREOJLBUCHX-HNNXBMFYSA-N
XLogP2.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide with MolForge

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Related Compounds

2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 56792624
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 66262468
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119466693
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 97225711
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 139007404
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694
tert-butyl (2R)-2-[[(6-methylpyridazin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176543
tert-butyl 3-[2-[(6-methyl-2-pyridinyl)amino]ethyl]piperidine-1-carboxylate
CID 133483087
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95630586
tert-butyl (2R)-2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 95732030
tert-butyl 2-[(quinolin-2-ylamino)methyl]piperidine-1-carboxylate
CID 86593668

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide (CID 95980637) is 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide is Cc1cccc(NC[C@@H]2CCCN2C(=O)CCNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is JMRKREOJLBUCHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-7-5-9-16(22-14)21-13-15-8-6-12-23(15)17(24)10-11-20-18(25)19(2,3)4/h5,7,9,15H,6,8,10-13H2,1-4H3,(H,20,25)(H,21,22)/t15-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 95980637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).