4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C26H31N7O2 — CID 175501403

IUPAC4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(Nc4ccccc4OCC4CC4)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C26H31N7O2/c1-32-10-12-33(13-11-32)19-8-9-24(28-15-19)31-25-14-22(20(16-29-25)26(27)34)30-21-4-2-3-5-23(21)35-17-18-6-7-18/h2-5,8-9,14-16,18H,6-7,10-13,17H2,1H3,(H2,27,34)(H2,28,29,30,31)
InChIKeyLNXSRFDJLXURMX-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.60
Rot. Bonds9

About 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501403) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID175501403
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(Nc4ccccc4OCC4CC4)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C26H31N7O2/c1-32-10-12-33(13-11-32)19-8-9-24(28-15-19)31-25-14-22(20(16-29-25)26(27)34)30-21-4-2-3-5-23(21)35-17-18-6-7-18/h2-5,8-9,14-16,18H,6-7,10-13,17H2,1H3,(H2,27,34)(H2,28,29,30,31)
InChIKeyLNXSRFDJLXURMX-UHFFFAOYSA-N
XLogP3.60
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501403) is 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CN1CCN(c2ccc(Nc3cc(Nc4ccccc4OCC4CC4)c(C(N)=O)cn3)nc2)CC1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is LNXSRFDJLXURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-32-10-12-33(13-11-32)19-8-9-24(28-15-19)31-25-14-22(20(16-29-25)26(27)34)30-21-4-2-3-5-23(21)35-17-18-6-7-18/h2-5,8-9,14-16,18H,6-7,10-13,17H2,1H3,(H2,27,34)(H2,28,29,30,31).
What are the key properties of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).