2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine

C24H30N8 — CID 25187929

IUPAC2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cn3)cc2)nc1
InChIInChI=1S/C24H30N8/c1-15(2)29-23(25)31-19-9-11-21(27-13-19)17-5-7-18(8-6-17)22-12-10-20(14-28-22)32-24(26)30-16(3)4/h5-16H,1-4H3,(H3,25,29,31)(H3,26,30,32)
InChIKeyUFSLYFKVCKTAEG-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.08
Rot. Bonds6

About 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine

2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine (PubChem CID 25187929) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine.

Molecular Properties

Compound Name2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine
PubChem CID25187929
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cn3)cc2)nc1
InChIInChI=1S/C24H30N8/c1-15(2)29-23(25)31-19-9-11-21(27-13-19)17-5-7-18(8-6-17)22-12-10-20(14-28-22)32-24(26)30-16(3)4/h5-16H,1-4H3,(H3,25,29,31)(H3,26,30,32)
InChIKeyUFSLYFKVCKTAEG-UHFFFAOYSA-N
XLogP4.08
TPSA126.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine?
The IUPAC name of 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine (CID 25187929) is 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine.
What is the SMILES notation for 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine?
The canonical SMILES for 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine is CC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(N/C(N)=N/C(C)C)cn3)cc2)nc1.
What is the InChIKey of 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine?
The InChIKey is UFSLYFKVCKTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-15(2)29-23(25)31-19-9-11-21(27-13-19)17-5-7-18(8-6-17)22-12-10-20(14-28-22)32-24(26)30-16(3)4/h5-16H,1-4H3,(H3,25,29,31)(H3,26,30,32).
What are the key properties of 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine?
2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine has a molecular weight of 430.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[6-[4-[5-[(N'-propan-2-ylcarbamimidoyl)amino]-2-pyridinyl]phenyl]-3-pyridinyl]guanidine is sourced from PubChem (CID 25187929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).