N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C21H26N6O2 — CID 11632605

IUPACN-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCn1ccc2ccc(CNCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc21
InChIInChI=1S/C21H26N6O2/c1-26-7-6-17-3-2-16(10-19(17)26)12-22-11-15-4-8-27(9-5-15)21-23-13-18(14-24-21)20(28)25-29/h2-3,6-7,10,13-15,22,29H,4-5,8-9,11-12H2,1H3,(H,25,28)
InChIKeyVMSYDCOTIBYQBY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.09
Rot. Bonds6

About N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 11632605) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID11632605
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCn1ccc2ccc(CNCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc21
InChIInChI=1S/C21H26N6O2/c1-26-7-6-17-3-2-16(10-19(17)26)12-22-11-15-4-8-27(9-5-15)21-23-13-18(14-24-21)20(28)25-29/h2-3,6-7,10,13-15,22,29H,4-5,8-9,11-12H2,1H3,(H,25,28)
InChIKeyVMSYDCOTIBYQBY-UHFFFAOYSA-N
XLogP2.09
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 11632605) is N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is Cn1ccc2ccc(CNCC3CCN(c4ncc(C(=O)NO)cn4)CC3)cc21.
What is the InChIKey of N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is VMSYDCOTIBYQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26-7-6-17-3-2-16(10-19(17)26)12-22-11-15-4-8-27(9-5-15)21-23-13-18(14-24-21)20(28)25-29/h2-3,6-7,10,13-15,22,29H,4-5,8-9,11-12H2,1H3,(H,25,28).
What are the key properties of N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 11632605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).