CID 59953891

C21H32GeN10O2 — CID 59953891

IUPAC—
SMILES[H]/N=C(N)/C(N)=N/c1cc(C(=O)Nc2cc(C(=O)NCCC/C(N)=N/CC[Ge]C)n(C)c2)n(C)c1
InChIInChI=1S/C21H32GeN10O2/c1-22-6-8-27-17(23)5-4-7-28-20(33)15-10-14(12-31(15)2)30-21(34)16-9-13(11-32(16)3)29-19(26)18(24)25/h9-12H,4-8H2,1-3H3,(H2,23,27)(H3,24,25)(H2,26,29)(H,28,33)(H,30,34)
InChIKeyPRZAFKBNAKYSPE-UHFFFAOYSA-N
MW529.17 g/mol
LogP0.58
Rot. Bonds11

About CID 59953891

CID 59953891 (PubChem CID 59953891) has the molecular formula C21H32GeN10O2 and a molecular weight of 529.17 g/mol.

Molecular Properties

Compound NameCID 59953891
PubChem CID59953891
Molecular FormulaC21H32GeN10O2
Molecular Weight529.17 g/mol
Exact Mass530.19
IUPAC Name—
SMILES[H]/N=C(N)/C(N)=N/c1cc(C(=O)Nc2cc(C(=O)NCCC/C(N)=N/CC[Ge]C)n(C)c2)n(C)c1
InChIInChI=1S/C21H32GeN10O2/c1-22-6-8-27-17(23)5-4-7-28-20(33)15-10-14(12-31(15)2)30-21(34)16-9-13(11-32(16)3)29-19(26)18(24)25/h9-12H,4-8H2,1-3H3,(H2,23,27)(H3,24,25)(H2,26,29)(H,28,33)(H,30,34)
InChIKeyPRZAFKBNAKYSPE-UHFFFAOYSA-N
XLogP0.58
TPSA194.69 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.17
LogP ≤ 50.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-methyliminobutyl)-4-[[4-[(1,3-diamino-3-iminopropylidene)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 59891583
N-[5-[[5-[[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]methanimidic acid
CID 136740245
N-(3-amino-3-iminopropyl)-4-[[4-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride
CID 14563221
(E)-4-[[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobut-2-enoic acid
CID 5471686
N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-(methanethioylamino)-1-methylpyrrole-2-carboxamide
CID 3037891
N-(6-amino-6-iminohexyl)-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 170326149
N-(3-amino-3-iminopropyl)-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 14039039
4-amino-N-[5-(3-iminobutylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 58831529
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[(E)-3-chloroprop-2-enyl]amino]-1-methylpyrrole-2-carboxamide
CID 101056337
N-[3-amino-3-[3-(dimethylamino)propylimino]propyl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 170326162
N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
CID 157481422
4-amino-1-methyl-N-[1-methyl-5-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 70120898

Frequently Asked Questions

What is the IUPAC name of CID 59953891?
The IUPAC name of CID 59953891 (CID 59953891) is not available.
What is the SMILES notation for CID 59953891?
The canonical SMILES for CID 59953891 is [H]/N=C(N)/C(N)=N/c1cc(C(=O)Nc2cc(C(=O)NCCC/C(N)=N/CC[Ge]C)n(C)c2)n(C)c1.
What is the InChIKey of CID 59953891?
The InChIKey is PRZAFKBNAKYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32GeN10O2/c1-22-6-8-27-17(23)5-4-7-28-20(33)15-10-14(12-31(15)2)30-21(34)16-9-13(11-32(16)3)29-19(26)18(24)25/h9-12H,4-8H2,1-3H3,(H2,23,27)(H3,24,25)(H2,26,29)(H,28,33)(H,30,34).
What are the key properties of CID 59953891?
CID 59953891 has a molecular weight of 529.17 g/mol, XLogP of 0.58, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59953891 is sourced from PubChem (CID 59953891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).