N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C18H31N7O3 — CID 87264654

IUPACN-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N(C)CC)n1
InChIInChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-25(28)12-26)16(27)22-23-17-19-15(13-9-10-13)20-18(21-17)24(3)5-2/h12-14,28H,4-11H2,1-3H3,(H,22,27)(H,19,20,21,23)/t14-/m1/s1
InChIKeyVDTRUZOFTIFLPK-CQSZACIVSA-N
MW393.49 g/mol
LogP1.69
Rot. Bonds13

About N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264654) has the molecular formula C18H31N7O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264654
Molecular FormulaC18H31N7O3
Molecular Weight393.49 g/mol
Exact Mass393.25
IUPAC NameN-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N(C)CC)n1
InChIInChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-25(28)12-26)16(27)22-23-17-19-15(13-9-10-13)20-18(21-17)24(3)5-2/h12-14,28H,4-11H2,1-3H3,(H,22,27)(H,19,20,21,23)/t14-/m1/s1
InChIKeyVDTRUZOFTIFLPK-CQSZACIVSA-N
XLogP1.69
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264654) is N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C2CC2)nc(N(C)CC)n1.
What is the InChIKey of N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is VDTRUZOFTIFLPK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-25(28)12-26)16(27)22-23-17-19-15(13-9-10-13)20-18(21-17)24(3)5-2/h12-14,28H,4-11H2,1-3H3,(H,22,27)(H,19,20,21,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 393.49 g/mol, XLogP of 1.69, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[4-cyclopropyl-6-[ethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).