tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate

C23H39N5O4 — CID 59857996

IUPACtert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CC2CC(NC(=O)OC(C)(C)C)CC2NCCN)n1
InChIInChI=1S/C23H39N5O4/c1-22(2,3)31-20(29)27-17-13-15(18(14-17)25-11-10-24)12-16-8-7-9-19(26-16)28-21(30)32-23(4,5)6/h7-9,15,17-18,25H,10-14,24H2,1-6H3,(H,27,29)(H,26,28,30)
InChIKeyBJPLPQSBKMTNSD-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.19
Rot. Bonds7

About tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate (PubChem CID 59857996) has the molecular formula C23H39N5O4 and a molecular weight of 449.60 g/mol. Its IUPAC name is tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate
PubChem CID59857996
Molecular FormulaC23H39N5O4
Molecular Weight449.60 g/mol
Exact Mass449.30
IUPAC Nametert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CC2CC(NC(=O)OC(C)(C)C)CC2NCCN)n1
InChIInChI=1S/C23H39N5O4/c1-22(2,3)31-20(29)27-17-13-15(18(14-17)25-11-10-24)12-16-8-7-9-19(26-16)28-21(30)32-23(4,5)6/h7-9,15,17-18,25H,10-14,24H2,1-6H3,(H,27,29)(H,26,28,30)
InChIKeyBJPLPQSBKMTNSD-UHFFFAOYSA-N
XLogP3.19
TPSA127.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl 3-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl]-4-[[(3S)-pyrrolidin-3-yl]amino]pyrrolidine-1-carboxylate
CID 25208110
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]cyclopropane-1-carboxylate
CID 137365392
tert-butyl 3-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]methyl]pyrrolidine-1-carboxylate
CID 25208112
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate (CID 59857996) is tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CC2CC(NC(=O)OC(C)(C)C)CC2NCCN)n1.
What is the InChIKey of tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate?
The InChIKey is BJPLPQSBKMTNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O4/c1-22(2,3)31-20(29)27-17-13-15(18(14-17)25-11-10-24)12-16-8-7-9-19(26-16)28-21(30)32-23(4,5)6/h7-9,15,17-18,25H,10-14,24H2,1-6H3,(H,27,29)(H,26,28,30).
What are the key properties of tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate has a molecular weight of 449.60 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[2-(2-aminoethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 59857996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).