N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide

C19H28N4O2 — CID 146637375

IUPACN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)21-16-8-7-14(11-20-16)18(25)23-10-9-15(12-23)22(4)17(24)13-5-6-13/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyKUUIERVSZRLKNX-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.37
Rot. Bonds4

About N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide (PubChem CID 146637375) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
PubChem CID146637375
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)21-16-8-7-14(11-20-16)18(25)23-10-9-15(12-23)22(4)17(24)13-5-6-13/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyKUUIERVSZRLKNX-HNNXBMFYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide
CID 146637408
N-methyl-N-[(3S)-1-[6-[(1-methylcyclobutyl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 146592628
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylmorpholine-4-carboxamide;[6-(tert-butylamino)-3-pyridinyl]-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone;morpholine-4-carbonyl chloride;hydrochloride
CID 159328061
N-methyl-N-[(3S)-1-[6-(2-pyridin-3-ylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146670880
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146670643
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide
CID 146430126
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
N-methyl-N-[(3S)-1-[6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 162775557
tert-butyl N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 146664660
N-methyl-N-[(3S)-1-(spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopropane]-7-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 139351328
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide (CID 146637375) is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1.
What is the InChIKey of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is KUUIERVSZRLKNX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)21-16-8-7-14(11-20-16)18(25)23-10-9-15(12-23)22(4)17(24)13-5-6-13/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide?
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 146637375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).