N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide

C19H16N8O2 — CID 46838429

IUPACN-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide
SMILES[H]/N=c1\c2ncnc(Nc3ccc(OC)cc3)c2ncn1NC(=O)c1ccncc1
InChIInChI=1S/C19H16N8O2/c1-29-14-4-2-13(3-5-14)25-18-16-15(22-10-23-18)17(20)27(11-24-16)26-19(28)12-6-8-21-9-7-12/h2-11,20H,1H3,(H,26,28)(H,22,23,25)/b20-17+
InChIKeyVSPFVVUFEKAARX-LVZFUZTISA-N
MW388.39 g/mol
LogP1.84
Rot. Bonds5

About N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide

N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide (PubChem CID 46838429) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide
PubChem CID46838429
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide
SMILES[H]/N=c1\c2ncnc(Nc3ccc(OC)cc3)c2ncn1NC(=O)c1ccncc1
InChIInChI=1S/C19H16N8O2/c1-29-14-4-2-13(3-5-14)25-18-16-15(22-10-23-18)17(20)27(11-24-16)26-19(28)12-6-8-21-9-7-12/h2-11,20H,1H3,(H,26,28)(H,22,23,25)/b20-17+
InChIKeyVSPFVVUFEKAARX-LVZFUZTISA-N
XLogP1.84
TPSA130.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide (CID 46838429) is N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide is [H]/N=c1\c2ncnc(Nc3ccc(OC)cc3)c2ncn1NC(=O)c1ccncc1.
What is the InChIKey of N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide?
The InChIKey is VSPFVVUFEKAARX-LVZFUZTISA-N. The full InChI is InChI=1S/C19H16N8O2/c1-29-14-4-2-13(3-5-14)25-18-16-15(22-10-23-18)17(20)27(11-24-16)26-19(28)12-6-8-21-9-7-12/h2-11,20H,1H3,(H,26,28)(H,22,23,25)/b20-17+.
What are the key properties of N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide?
N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 46838429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).