N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide

C19H26N6O — CID 169374629

IUPACN-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide
SMILESNC1=NC2(CCCCC2)N(c2ccc(CC(=O)NC3CC3)cc2)C(N)=N1
InChIInChI=1S/C19H26N6O/c20-17-23-18(21)25(19(24-17)10-2-1-3-11-19)15-8-4-13(5-9-15)12-16(26)22-14-6-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,22,26)(H4,20,21,23,24)
InChIKeyVHMKMWMQGXNVJL-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.62
Rot. Bonds4

About N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide

N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide (PubChem CID 169374629) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide
PubChem CID169374629
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide
SMILESNC1=NC2(CCCCC2)N(c2ccc(CC(=O)NC3CC3)cc2)C(N)=N1
InChIInChI=1S/C19H26N6O/c20-17-23-18(21)25(19(24-17)10-2-1-3-11-19)15-8-4-13(5-9-15)12-16(26)22-14-6-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,22,26)(H4,20,21,23,24)
InChIKeyVHMKMWMQGXNVJL-UHFFFAOYSA-N
XLogP1.62
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide (CID 169374629) is N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide is NC1=NC2(CCCCC2)N(c2ccc(CC(=O)NC3CC3)cc2)C(N)=N1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide?
The InChIKey is VHMKMWMQGXNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-17-23-18(21)25(19(24-17)10-2-1-3-11-19)15-8-4-13(5-9-15)12-16(26)22-14-6-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,22,26)(H4,20,21,23,24).
What are the key properties of N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide?
N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide has a molecular weight of 354.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide is sourced from PubChem (CID 169374629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).