5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide

C18H27N5O2 — CID 176993767

IUPAC5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
SMILESC/C(N)=C/c1cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)CC3)[nH]c1N
InChIInChI=1S/C18H27N5O2/c1-11(19)9-13-10-14(22-15(13)20)16(24)21-12(2)17(25)23-7-5-18(3-4-18)6-8-23/h9-10,12,22H,3-8,19-20H2,1-2H3,(H,21,24)/b11-9-/t12-/m1/s1
InChIKeyRNDMPVZRTORRRM-UCQJPZFISA-N
MW345.45 g/mol
LogP1.44
Rot. Bonds4

About 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide

5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 176993767) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID176993767
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
SMILESC/C(N)=C/c1cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)CC3)[nH]c1N
InChIInChI=1S/C18H27N5O2/c1-11(19)9-13-10-14(22-15(13)20)16(24)21-12(2)17(25)23-7-5-18(3-4-18)6-8-23/h9-10,12,22H,3-8,19-20H2,1-2H3,(H,21,24)/b11-9-/t12-/m1/s1
InChIKeyRNDMPVZRTORRRM-UCQJPZFISA-N
XLogP1.44
TPSA117.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 176993838
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 176994031
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176994015
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993825
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-chloro-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993755
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 176993743
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-chloroquinoline-3-carboxamide
CID 174373909
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
CID 171631173
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide (CID 176993767) is 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide is C/C(N)=C/c1cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)CC3)[nH]c1N.
What is the InChIKey of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is RNDMPVZRTORRRM-UCQJPZFISA-N. The full InChI is InChI=1S/C18H27N5O2/c1-11(19)9-13-10-14(22-15(13)20)16(24)21-12(2)17(25)23-7-5-18(3-4-18)6-8-23/h9-10,12,22H,3-8,19-20H2,1-2H3,(H,21,24)/b11-9-/t12-/m1/s1.
What are the key properties of 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide?
5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(Z)-2-aminoprop-1-enyl]-N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 176993767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).