tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate

C17H26N4O2 — CID 107249875

IUPACtert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)(CNCc1c[nH]c2ncccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-16(2,3)23-15(22)21-17(4,5)11-18-9-12-10-20-14-13(12)7-6-8-19-14/h6-8,10,18H,9,11H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyRCCXMFWDEJIBGP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate (PubChem CID 107249875) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate
PubChem CID107249875
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nametert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate
SMILESCC(C)(CNCc1c[nH]c2ncccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-16(2,3)23-15(22)21-17(4,5)11-18-9-12-10-20-14-13(12)7-6-8-19-14/h6-8,10,18H,9,11H2,1-5H3,(H,19,20)(H,21,22)
InChIKeyRCCXMFWDEJIBGP-UHFFFAOYSA-N
XLogP2.96
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]carbamate
CID 107241138
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915
tert-butyl N-[2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propyl]carbamate
CID 170832279
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 110002147
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
CID 103740257
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate (CID 107249875) is tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate is CC(C)(CNCc1c[nH]c2ncccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate?
The InChIKey is RCCXMFWDEJIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-16(2,3)23-15(22)21-17(4,5)11-18-9-12-10-20-14-13(12)7-6-8-19-14/h6-8,10,18H,9,11H2,1-5H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107249875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).