tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate

C18H30N4O2 — CID 97225711

IUPACtert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(NC[C@H]2CCN(CCNC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-14-6-5-7-16(21-14)20-12-15-8-10-22(13-15)11-9-19-17(23)24-18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyGTETVLGWACDTHH-OAHLLOKOSA-N
MW334.46 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate (PubChem CID 97225711) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
PubChem CID97225711
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(NC[C@H]2CCN(CCNC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-14-6-5-7-16(21-14)20-12-15-8-10-22(13-15)11-9-19-17(23)24-18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyGTETVLGWACDTHH-OAHLLOKOSA-N
XLogP2.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 86773963
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
tert-butyl N-[[(3S)-1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyrrolidin-3-yl]methyl]carbamate
CID 54209894
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
N-(1-cyanocyclopentyl)-2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95155632

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate (CID 97225711) is tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate is Cc1cccc(NC[C@H]2CCN(CCNC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is GTETVLGWACDTHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-6-5-7-16(21-14)20-12-15-8-10-22(13-15)11-9-19-17(23)24-18(2,3)4/h5-7,15H,8-13H2,1-4H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 97225711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).