N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide

C18H33N7O3 — CID 143005417

IUPACN-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide
SMILESCCCCCCCc1nc(NNC(=O)C(CC)CN(O)C=O)nc(N(C)C)n1
InChIInChI=1S/C18H33N7O3/c1-5-7-8-9-10-11-15-19-17(21-18(20-15)24(3)4)23-22-16(27)14(6-2)12-25(28)13-26/h13-14,28H,5-12H2,1-4H3,(H,22,27)(H,19,20,21,23)
InChIKeyKNSBSCMHECVYPS-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.77
Rot. Bonds14

About N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide

N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide (PubChem CID 143005417) has the molecular formula C18H33N7O3 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide
PubChem CID143005417
Molecular FormulaC18H33N7O3
Molecular Weight395.51 g/mol
Exact Mass395.26
IUPAC NameN-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide
SMILESCCCCCCCc1nc(NNC(=O)C(CC)CN(O)C=O)nc(N(C)C)n1
InChIInChI=1S/C18H33N7O3/c1-5-7-8-9-10-11-15-19-17(21-18(20-15)24(3)4)23-22-16(27)14(6-2)12-25(28)13-26/h13-14,28H,5-12H2,1-4H3,(H,22,27)(H,19,20,21,23)
InChIKeyKNSBSCMHECVYPS-UHFFFAOYSA-N
XLogP1.77
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264654
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87263796
N-[(2R)-2-[[[4-[[ethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 91460080
N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263921
N-[2-[[[6-(dimethylamino)-7H-purin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264557
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264176
N-[(2S)-2-[[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263949
N-[2-[[(4-cyclopropyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264302
N-hydroxy-N-[2-[[(4-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87263886
N-[(2R)-2-[[[4-but-3-enyl-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]carbamoyl]oct-7-enyl]-N-phenylmethoxyformamide
CID 86621283

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide (CID 143005417) is N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide is CCCCCCCc1nc(NNC(=O)C(CC)CN(O)C=O)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide?
The InChIKey is KNSBSCMHECVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O3/c1-5-7-8-9-10-11-15-19-17(21-18(20-15)24(3)4)23-22-16(27)14(6-2)12-25(28)13-26/h13-14,28H,5-12H2,1-4H3,(H,22,27)(H,19,20,21,23).
What are the key properties of N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide?
N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide has a molecular weight of 395.51 g/mol, XLogP of 1.77, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[4-(dimethylamino)-6-heptyl-1,3,5-triazin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide is sourced from PubChem (CID 143005417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).