N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide

C18H18N8O2 — CID 160672212

IUPACN-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)CC)cn3)nn2)nc1
InChIInChI=1S/C18H18N8O2/c1-3-15(27)21-11-5-7-13(19-9-11)17-23-25-18(26-24-17)14-8-6-12(10-20-14)22-16(28)4-2/h5-10H,3-4H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyYXSQXUFEMQZJMM-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.09
Rot. Bonds6

About N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide

N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide (PubChem CID 160672212) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
PubChem CID160672212
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC NameN-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)CC)cn3)nn2)nc1
InChIInChI=1S/C18H18N8O2/c1-3-15(27)21-11-5-7-13(19-9-11)17-23-25-18(26-24-17)14-8-6-12(10-20-14)22-16(28)4-2/h5-10H,3-4H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyYXSQXUFEMQZJMM-UHFFFAOYSA-N
XLogP2.09
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
N-[2-(dimethylamino)pyrimidin-5-yl]propanamide
CID 91967806
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
CID 169281528
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide
CID 50844256
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide (CID 160672212) is N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)CC)cn3)nn2)nc1.
What is the InChIKey of N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide?
The InChIKey is YXSQXUFEMQZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-3-15(27)21-11-5-7-13(19-9-11)17-23-25-18(26-24-17)14-8-6-12(10-20-14)22-16(28)4-2/h5-10H,3-4H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide?
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide has a molecular weight of 378.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 160672212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).