N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide

C30H36N10O3 — CID 58949032

About N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide

N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 58949032) has the molecular formula C30H36N10O3 and a molecular weight of 584.69 g/mol. Its IUPAC name is N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide
• PubChem CID: 58949032
• Molecular Formula: C30H36N10O3
• Molecular Weight: 584.69 g/mol
• Exact Mass: 584.30
• IUPAC Name: N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide
• SMILES: NC[C@@H]1[C@H](O)CCN1c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@H](N)C[C@H](N)C2)n1
• InChI: InChI=1S/C30H36N10O3/c31-14-24-25(41)11-12-40(24)30-37-28(36-29(38-30)39-15-18(32)13-19(33)16-39)35-21-8-6-20(7-9-21)34-27(43)23-10-5-17-3-1-2-4-22(17)26(23)42/h1-10,18-19,24-25,41-42H,11-16,31-33H2,(H,34,43)(H,35,36,37,38)/t18-,19+,24-,25-/m1/s1
• InChIKey: BWIQYQPMDZBGFR-APTYZTEPSA-N
• XLogP: 1.49
• TPSA: 204.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	584.69
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide?

The IUPAC name of N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide (CID 58949032) is N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide.

What is the SMILES notation for N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide?

The canonical SMILES for N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide is NC[C@@H]1[C@H](O)CCN1c1nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)nc(N2C[C@H](N)C[C@H](N)C2)n1.

What is the InChIKey of N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide?

The InChIKey is BWIQYQPMDZBGFR-APTYZTEPSA-N. The full InChI is InChI=1S/C30H36N10O3/c31-14-24-25(41)11-12-40(24)30-37-28(36-29(38-30)39-15-18(32)13-19(33)16-39)35-21-8-6-20(7-9-21)34-27(43)23-10-5-17-3-1-2-4-22(17)26(23)42/h1-10,18-19,24-25,41-42H,11-16,31-33H2,(H,34,43)(H,35,36,37,38)/t18-,19+,24-,25-/m1/s1.

What are the key properties of N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide?

N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 584.69 g/mol, XLogP of 1.49, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[(2R,3R)-2-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 58949032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).